2-(1H-benzimidazol-2-yl)-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: 2-(1H-benzimidazol-2-yl)-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: 2-(1H-benzimidazol-2-yl)-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: 2-(1H-benzimidazol-2-yl)-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: 2-(1H-benzimidazol-2-yl)-4,4-dimethyl-3-oxopentanenitrile Traditional Name: 2-(1H-benzimidazol-2-yl)-3-keto-4,4-dimethyl-valeronitrile Formula: C14H15N3O MolecularWeight: 241.2884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(C#N)C1=NC2=CC=CC=C2N1

Isomeric SMILES

CC(C)(C)C(=O)C(C#N)C1=NC2=CC=CC=C2N1

InChI

InChI=1S/C14H15N3O/c1-14(2,3)12(18)9(8-15)13-16-10-6-4-5-7-11(10)17-13/h4-7,9H,1-3H3,(H,16,17)